input word = C00056804

Metabolite InformationStructural formula
Name Notoginsenoside ST1
Formula C36H62O10
Mw 654.4342982
CAS RN 1013121-50-0
C_ID C00056804
InChIKey KQVZWOCQNLCYSG-MEBFXRGSSA-N
InChICode InChI=1S/C36H62O11/c1-17(9-10-23(40)33(4,5)45)18-11-14-35(7)24(18)19(38)15-21-34(6)13-12-22(39)32(2,3)29(34)28(30(44)36(21,35)8)47-31-27(43)26(42)25(41)20(16-37)46-31/h9,18-31,37-45H,10-16H2,1-8H3/b17-9+/t18-,19-,20-,21-,22+,23+,24+,25-,26+,27-,28-,29+,30+,31+,34-,35-,36+/m1/s1
SMILES C/C(=CC[C@H](O)C(C)(C)O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax notoginseng Ref.
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